2-[2-[4-[1-(1-methylimidazol-2-yl)sulfanylindol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

Systemtic Name: 2-[2-[4-[1-(1-methylimidazol-2-yl)sulfanylindol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[1-(1-methylimidazol-2-yl)sulfanylindol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-[(1-methyl-2-imidazolyl)thio]-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-(1-methylimidazol-2-yl)sulfanylindol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[1-[(1-methylimidazol-2-yl)thio]indol-3-yl]piperidino]ethoxy]benzoic acid Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SN2C=C(C3=CC=CC=C32)C4CCN(CC4)CCOC5=CC=CC=C5C(=O)O

Isomeric SMILES

CN1C=CN=C1SN2C=C(C3=CC=CC=C32)C4CCN(CC4)CCOC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C26H28N4O3S/c1-28-15-12-27-26(28)34-30-18-22(20-6-2-4-8-23(20)30)19-10-13-29(14-11-19)16-17-33-24-9-5-3-7-21(24)25(31)32/h2-9,12,15,18-19H,10-11,13-14,16-17H2,1H3,(H,31,32)